[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine

C14H20Cl2N2O2S — CID 104969170

IUPAC[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Cl)cc(CN)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)13-7-12(15)6-11(8-17)14(13)16/h6-7,9-10H,3-5,8,17H2,1-2H3/t9-,10+
InChIKeyUAEXLTSRSJKYMN-AOOOYVTPSA-N
MW351.30 g/mol
LogP3.40
Rot. Bonds3

About [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine

[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine (PubChem CID 104969170) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine
PubChem CID104969170
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Cl)cc(CN)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)13-7-12(15)6-11(8-17)14(13)16/h6-7,9-10H,3-5,8,17H2,1-2H3/t9-,10+
InChIKeyUAEXLTSRSJKYMN-AOOOYVTPSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-fluorophenyl]methanamine
CID 104969252
[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 81450845
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 82885080
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-6-methylpiperidin-2-yl]methanamine
CID 103089025
4-chloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzenecarbothioamide
CID 104967504
[5-chloro-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2-methylphenyl]methanamine
CID 82879638
3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 43093346
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
CID 82884531
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640

Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine?
The IUPAC name of [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine (CID 104969170) is [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine.
What is the SMILES notation for [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine?
The canonical SMILES for [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Cl)cc(CN)c1Cl.
What is the InChIKey of [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine?
The InChIKey is UAEXLTSRSJKYMN-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-9-4-3-5-10(2)18(9)21(19,20)13-7-12(15)6-11(8-17)14(13)16/h6-7,9-10H,3-5,8,17H2,1-2H3/t9-,10+.
What are the key properties of [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine?
[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine has a molecular weight of 351.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine is sourced from PubChem (CID 104969170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).